SCHEMBL2553608

SCHEMBL2553608

CCC(O)CNCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
FAAH O00519 1/20 0.36
KDM4E B2RXH2 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR3 O14843 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PTGS2 P35354 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
S1PR2 O95136 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5014969 0.85 SLC22A6 (0.41) SLC22A6ALDH1A1LMNAMAPTPTGS2
Glycine SCHEMBL9816920 0.80 GLRA1 (0.43) KDM4EFFAR4FFAR1FFAR3SLC22A6
SCHEMBL983155 0.79 LMNA (0.36) SLC22A6ALDH1A1LMNAMAPTPTGS2
SCHEMBL288887 0.77 MME (0.41) MMEACECPA1ACE2FFAR3
SCHEMBL8447231 0.77 MAPT (0.35) SLC22A6ALDH1A1LMNAMAPTPTGS2
SCHEMBL288888 0.77 MME (0.41) MMEACECPA1ACE2FFAR3
SCHEMBL588144 0.77 KDM4E (0.46) KDM4EALDH1A1
SCHEMBL6797275 0.77 MAPT (0.44) KDM4EALDH1A1MAPTTDP1CYP2D6
SCHEMBL6796962 0.77 MAPT (0.44) KDM4EALDH1A1MAPTTDP1CYP2D6
SCHEMBL6796958 0.77 MAPT (0.44) KDM4EALDH1A1MAPTTDP1CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-6653305-B2 For therapy of tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-11-25 US disclosed
EP-1315717-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2003-06-04 EP disclosed
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-20 US disclosed
WO-2002018373-A1 QUINAZOLINE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-03-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR3C2, CYP11B2 MME 2601/4885ACE 2397/4885CPA1 1642/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.